Quaternary ammonium-based ionic liquids bearing different numbers of hydroxyl groups as highly efficient catalysts for the fixation of CO2: a theoretical study by QM and MD

Huiqing Yang, Li Wang + Show 3 more

https://doi.org/10.1039/c6cy01045h

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Journal: Catal. Sci. Technol.	Publication Date: Jan 1, 2016
Citations: 41

Abstract

The mechanism of coupling reactions of CO2 with PO catalyzed by NEtn(HE)4−nBr (n = 1–4) by QM and MM.

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